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Geometry for C2H3 (vinyl) 2A' CS

1910171554
InChI=1S/C2H3/c1-2/h1H,2H2 INChIKey=ORGHESHFQPYLAO-UHFFFAOYSA-N

B3LYPultrafine/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0481 0.7172 0.0000   0.7188 -0.0088 0.0000
C2 0.0481 -0.5843 0.0000   -0.5787 0.0941 0.0000
H3 -0.6636 1.5270 0.0000   1.4698 -0.7823 0.0000
H4 -0.8792 -1.1601 0.0000   -1.2259 -0.7847 0.0000
H5 0.9659 -1.1645 0.0000   -1.0845 1.0550 0.0000
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5
C1 1.3015 1.0781 2.0938 2.0936
C2 1.3015 2.2280 1.0915 1.0859
H3 1.0781 2.2280 2.6957 3.1464
H4 2.0938 1.0915 2.6957 1.8451
H5 2.0936 1.0859 3.1464 1.8451
Maximum atom distance is 3.1464Å between atoms H3 and H5.
picture of vinyl
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 121.837 C1 C2 H5 122.299
C2 C1 H3 138.690 H4 C2 H5 115.864

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.